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DocumentationIdentifier: MM438615
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM438615 |
| SMILES |
CCC(C)CN1CC1C#N
|
| InChIKey |
PDSMPZPZILFVHW-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216730
Similarity: 0.7926
Similarity to MM216730
| Tanimoto metric | 0.7926 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8843 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276701
Similarity: 0.7708
Similarity to MM276701
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.8721 |
| Dice metric | 0.8706 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438907
Similarity: 0.7417
Similarity to MM438907
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8517 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+106 more
